2-(1H-imidazo[4,5-c]quinolin-1-yl)-1-butanol

HCID 21898023

Notes Reactions

Substructure search Find similar structures

Basic information

Standard SMILES: CCC(CO)n1cnc2cnc3ccccc3c21
InChIKey: SKOBGLOJJGVOSV-UHFFFAOYSA-N
Molecular formula: C14H15N3O
Average molar mass: 241.29 g/mol

Names & identifiers

Preferred name: 2-(1H-imidazo[4,5-c]quinolin-1-yl)-1-butanol
IUPAC: 2-imidazo[4,5-c]quinolin-1-ylbutan-1-ol

Names & synonyms

SCHEMBL4341138SKOBGLOJJGVOSV-UHFFFAOYSA-N2-(1H-imidazo[4,5-c]quinolin-1-yl)-1-butanol2-(1H-imidazo[4,5-c]quinolin-1-yl)butan-1-ol2-(1H-imidazo[4,5-c]quinolin-1-yl)butan-l-ol2-Ethyl-2-(1H-imidazo[4,5-c]quinolin-1-yl)-1-ethanol

Database identifiers

PubChem CID: 21898023

Properties

Computed structural properties

XLogP: 1.9
Topological polar surface area: 50.9 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 3
Heavy atoms: 18
Formal charge: 0
Complexity: 286

Related reactions

26 records

New reaction record

HRID 145459As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 196464As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 430987As reactantuspto-grants-2003_12

HRID 431474As reactantuspto-grants-2003_12

HRID 431617As reactantuspto-grants-2003_12

HRID 432737As reactantuspto-grants-2003_12

HRID 433976As reactantuspto-grants-2003_12

HRID 434005As reactantuspto-grants-2003_12

Compound notes

Loading…